4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine

C14H26ClNO2 — CID 116524057

IUPAC4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
SMILESCC1(C)CCC(CN2CCC(OCCCl)CC2)O1
InChIInChI=1S/C14H26ClNO2/c1-14(2)6-3-13(18-14)11-16-8-4-12(5-9-16)17-10-7-15/h12-13H,3-11H2,1-2H3
InChIKeyLHLNNXFJEULDSI-UHFFFAOYSA-N
MW275.82 g/mol
LogP2.66
Rot. Bonds5

About 4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine

4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine (PubChem CID 116524057) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
PubChem CID116524057
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC Name4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine
SMILESCC1(C)CCC(CN2CCC(OCCCl)CC2)O1
InChIInChI=1S/C14H26ClNO2/c1-14(2)6-3-13(18-14)11-16-8-4-12(5-9-16)17-10-7-15/h12-13H,3-11H2,1-2H3
InChIKeyLHLNNXFJEULDSI-UHFFFAOYSA-N
XLogP2.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R,4S)-5-(2-chloroethyl)-3,3-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
CID 69418771
(1R,4S)-5-(2-chloroethyl)-3,3-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 69418772
3-(Chloromethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63386733
3-(2-Chloroethyl)-1-(oxolan-2-ylmethyl)piperidine
CID 63388800
2-(2-chloroethoxy)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
CID 63711065
3-[2-(2-Chloroethoxy)ethyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66371735
2-(Chloromethyl)-5-methyl-4-(oxolan-2-ylmethyl)morpholine
CID 81209714
2-(Chloromethyl)-4-(oxolan-2-ylmethyl)morpholine
CID 81213805
2-(Chloromethyl)-4-[2-(oxolan-2-yl)ethyl]morpholine
CID 81213911
4-(2-Chloroethoxy)-1-(oxolan-2-ylmethyl)piperidine
CID 82701287
4-(2-Chloroethoxy)-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidine
CID 102900907
4-(2-Chloroethoxy)-1-(1-oxaspiro[4.5]decan-2-ylmethyl)piperidine
CID 102900908

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine (CID 116524057) is 4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine is CC1(C)CCC(CN2CCC(OCCCl)CC2)O1.
What is the InChIKey of 4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine?
The InChIKey is LHLNNXFJEULDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO2/c1-14(2)6-3-13(18-14)11-16-8-4-12(5-9-16)17-10-7-15/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine?
4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine has a molecular weight of 275.82 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-[(5,5-dimethyloxolan-2-yl)methyl]piperidine is sourced from PubChem (CID 116524057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).